N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine

C23H19N7OS — CID 46209273

IUPACN-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(Nc3ccc(Oc4nccnc4N4CCc5nc[nH]c5C4)cc3)nc2c1
InChIInChI=1S/C23H19N7OS/c1-2-4-20-18(3-1)29-23(32-20)28-15-5-7-16(8-6-15)31-22-21(24-10-11-25-22)30-12-9-17-19(13-30)27-14-26-17/h1-8,10-11,14H,9,12-13H2,(H,26,27)(H,28,29)
InChIKeyCRKFRXWSFJBSLF-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.91
Rot. Bonds5

About N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine

N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine (PubChem CID 46209273) has the molecular formula C23H19N7OS and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
PubChem CID46209273
Molecular FormulaC23H19N7OS
Molecular Weight441.52 g/mol
Exact Mass441.14
IUPAC NameN-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(Nc3ccc(Oc4nccnc4N4CCc5nc[nH]c5C4)cc3)nc2c1
InChIInChI=1S/C23H19N7OS/c1-2-4-20-18(3-1)29-23(32-20)28-15-5-7-16(8-6-15)31-22-21(24-10-11-25-22)30-12-9-17-19(13-30)27-14-26-17/h1-8,10-11,14H,9,12-13H2,(H,26,27)(H,28,29)
InChIKeyCRKFRXWSFJBSLF-UHFFFAOYSA-N
XLogP4.91
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

JK184
CID 1069686
n-(4-{[6-(4-Phenylpiperazin-1-yl)pyrimidin-4-yl]oxy}-1,3-benzothiazol-2-yl)acetamide
CID 10095108
[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
CID 46209386
N-(4-(3-morpholinopyridin-2-yloxy)phenyl)benzo[d]thiazol-2-amine
CID 59327176
N-[3-(1H-imidazol-1-yl)propyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 6539205
N-(4-(3-Morpholinopyrazin-2-yloxy)phenyl)-1H-benzo[D]imidazol-2-amine
CID 46208939
N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine
CID 46209045
2-[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]propan-2-ol
CID 46209046
2-[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
CID 46209162
1-[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]ethanol
CID 59351288
N-[4-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
CID 59351376
2-(2-((Pyridin-3-yloxy)methyl)piperazin-1-yl)benzo[d]thiazole
CID 59671531

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine (CID 46209273) is N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine is c1ccc2sc(Nc3ccc(Oc4nccnc4N4CCc5nc[nH]c5C4)cc3)nc2c1.
What is the InChIKey of N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine?
The InChIKey is CRKFRXWSFJBSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7OS/c1-2-4-20-18(3-1)29-23(32-20)28-15-5-7-16(8-6-15)31-22-21(24-10-11-25-22)30-12-9-17-19(13-30)27-14-26-17/h1-8,10-11,14H,9,12-13H2,(H,26,27)(H,28,29).
What are the key properties of N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine?
N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine has a molecular weight of 441.52 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 46209273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).